0 B11R1.605 NC1=CC=CC(Br)=C1CCO AT22850 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [1,0,0,0,0,0|2,1,0]=4 2 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [1,0,0,0,0,0|2,1,0]=4 3 B10R1.245 CC1=CN=CC(F)=C1CN AT25470 [1,0,0,0,0,0|2,1,0]=4 4 B10R1.245 COC1=C(Br)C=CN=C1Cl D76095 [1,0,0,0,0,0|2,1,0]=4 5 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.245 CSC1=C(I)C=CC=C1Cl D85832 [1,0,0,0,0,0|1,1,0]=3 7 B10R1.245 OCC1=C(I)C=CC=C1I AT18544 [1,0,0,0,0,0|1,2,0]=4 8 B12R1.1009 O=C(O)CC1=C(Cl)C=CN=C1Cl D75678 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.1009 O=C(O)CC1=C(Cl)C=NC=C1Cl D72181 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.1009 O=C(O)CC1=C(I)C=CC=C1Cl AT25202 [0,1,0,0,0,0|1,1,1]=4 11 B12R1.1009 O=[S@]([O-])CC1=C(Cl)C=CC=C1F AT26725 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.1095 NCCC1=C(F)C=C(Br)C=C1F AT12605 [0,1,0,0,0,0|0,2,0]=3 13 B12R1.1631 FC1=CC=CC(F)=C1OCCBr AT22368 [0,1,0,0,0,0|1,2,0]=4 14 B12R1.3441 N[C@@H](CO)C1=C(Cl)C=NC=C1Cl AT24981 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.3441 N[C@@H](CO)C1=C(Cl)C=NC=C1Cl N14880 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.1081 BrC1=C2CCNCC2=CN=C1 F53720 [0,0,0,1,0,0|2,1,0]=4 17 B12R2.1081 ClC1=C2CCNCC2=NC=C1 D76679 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.8 ClCCC1=CN=CC=C1 D87792 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.8 SCCC1=CN=CC=C1 F18092 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [2,0,0,0,0,0|1,1,0]=4 21 B9R1.15 NCC1=CC=CNC1=O D76881 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.3 SC1=C(Br)C=CC=C1Cl AT20840 [2,0,0,0,0,0|1,1,0]=4 23 B11R1.17 O=CCOC1=C(Cl)C=CC=C1 H11067 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.81 FC1=C(CCBr)C=CC(Br)=C1 AC8494 [1,1,0,0,0,0|1,1,0]=4 25 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13430 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [1,1,0,0,0,0|1,1,0]=4 27 B11R1.222 N#C[C@@H](F)C1=C(Cl)C=CC=C1 AC8978 [1,1,0,0,0,0|0,0,2]=4 28 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [1,1,0,0,0,0|0,1,0]=3 29 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [1,1,0,0,0,0|0,1,0]=3 30 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 AT24988 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 N14405 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.72 NC1=C(CO)C(Cl)=C(F)C=C1 AT25627 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.72 OCC1=C(Cl)C=CC(F)=C1Cl AC8047 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.156 CC(C)C1=C(F)C=CC=C1O AT20215 [1,1,0,0,0,0|1,1,0]=4 35 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1Cl C92035 [1,1,0,0,0,0|0,1,0]=3 36 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1Cl C92044 [1,1,0,0,0,0|0,1,0]=3 37 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F C92042 [1,1,0,0,0,0|0,2,0]=4 38 B11R1.156 C[C@H](O)C1=C(Cl)C=CN=C1Cl AT13837 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.265 CCC1=C(Br)C=CC=C1OC W15772 [1,1,0,0,0,0|1,1,0]=4 40 B11R1.464 C=CC1=C(Cl)C=C(Cl)C=C1Cl AC9645 [1,1,0,0,0,0|0,0,2]=4 41 B11R1.464 CNC1=C(Cl)C=C(I)C=C1Cl AT25409 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.464 FC1=CC(Br)=CC(Cl)=C1CBr 88215 [1,1,0,0,0,0|1,1,0]=4 43 B13R1.3789 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1Cl N15800 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.3789 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1F N15795 [0,2,0,0,0,0|1,1,0]=4 45 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [1,0,0,1,0,0|2,0,0]=4 46 B11R2.10 N[C@H]1CC2=CC=CN=C2C1 AT25949 [1,0,0,1,0,0|2,0,0]=4 47 B11R2.106 IC1=C2CCNC2=CC=C1 F13717 [1,0,0,1,0,0|0,1,0]=3 48 B11R2.106 OC1=C2CCNC2=NC=C1 D72164 [1,0,0,1,0,0|2,0,0]=4 49 B13R2.371 OC1=C2CNCCC2=C(F)C=C1 AT24055 [0,1,0,1,0,0|1,1,0]=4 50 B13R2.402 NC1=CC=CC(Cl)=C1OC2CC2 C91436 [0,1,0,1,0,0|2,0,0]=4 51 B13R2.328 CC1=CC(Br)=CC2=C1CCNC2 AT22641 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.342 C[C@@H]1NCCC2=C(Br)C=CC=C21 AT22645 [0,1,0,1,0,0|1,1,0]=4 53 B13R2.4820 BrC1=C2CCNCCC2=CC=C1 AT24799 [0,1,0,1,0,0|1,1,0]=4 54 B13R2.4820 ClC1=C2CCNCCC2=CC=C1 D74800 [0,1,0,1,0,0|1,0,0]=3 55 B13R2.54 NCC1=NC2=CC=CC(Cl)=C2O1 AC3568 [0,1,0,1,0,0|1,0,1]=4 56 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2N1 69698 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.5329 NC1(C2=C(Cl)C=CC=C2Cl)CC1 AC7984 [0,1,0,1,0,0|1,0,0]=3 58 B13R2.5329 NC1(C2=C(Cl)C=CC=C2Cl)CC1 AC8648 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.5329 NC1(C2=C(Cl)C=CC=C2F)CC1 AC2889 [0,1,0,1,0,0|1,1,0]=4